| SpectraBase Spectrum ID |
2R2JEoIBwuF |
| Name |
2-Methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.135922209 u |
| Formula |
C21H24FNO5S |
| InChI |
InChI=1S/C21H24FNO5S/c1-13(28-15-9-7-14(22)8-10-15)19(24)23-20-18(21(25)27-12-11-26-2)16-5-3-4-6-17(16)29-20/h7-10,13H,3-6,11-12H2,1-2H3,(H,23,24) |
| InChIKey |
IJOIIEFBUVMNPW-UHFFFAOYSA-N |
| Molecular Weight |
421.483 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OCCOC)C(C(OC1=CC=C(F)C=C1)C)=O |
![2-Methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/2R2JEoIBwuF/structure.png?h=300&w=458 "2-Methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
